Spektraris NMR
3',4',7-Trimethoxy-2,3-dihydroisoflavone
Common Name: 3',4',7-Trimethoxy-2,3-dihydroisoflavone
Synonyms: 3',4',7-Trimethoxy-2,3-dihydroisoflavone
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-9,14H,10H2,1-3H3
InChIKey: InChIKey=LVMVNKBNAUPSGR-UHFFFAOYSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Gottlieb, H.E. Phytochemistry (1977) 16, 1811-6
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH2) | 71.5 |
| 3 (CH) | 51.5 |
| 4 (C) | 190.4 |
| 5 (CH) | 129 |
| 6 (CH) | 109.7 |
| 7 (C) | 165.6 |
| 8 (CH) | 100.3 |
| 9 (C) | 163 |
| 10 (C) | 114.4 |
| 1' (C) | 127.5 |
| 2' (CH) | 111.6 |
| 3' (C) | 148.7 |
| 4' (C) | 148.2 |
| 5' (CH) | 111.2 |
| 6' (CH) | 120 |
| 7a (CH3) | 55.3 |
| 3'a (CH3) | 55.6 |
| 4'a (CH3) | 55.6 |
